Tuesday, March 2, 2021
  • Setup menu at Appearance » Menus and assign menu to Top Bar Navigation
Advertisement
  • AI Development
    • Artificial Intelligence
    • Machine Learning
    • Neural Networks
    • Learn to Code
  • Data
    • Blockchain
    • Big Data
    • Data Science
  • IT Security
    • Internet Privacy
    • Internet Security
  • Marketing
    • Digital Marketing
    • Marketing Technology
  • Technology Companies
  • Crypto News
No Result
View All Result
NikolaNews
  • AI Development
    • Artificial Intelligence
    • Machine Learning
    • Neural Networks
    • Learn to Code
  • Data
    • Blockchain
    • Big Data
    • Data Science
  • IT Security
    • Internet Privacy
    • Internet Security
  • Marketing
    • Digital Marketing
    • Marketing Technology
  • Technology Companies
  • Crypto News
No Result
View All Result
NikolaNews
No Result
View All Result
Home Machine Learning

Machine learning transforms how microstates are sampled

September 9, 2019
in Machine Learning
Boltzmann generators: Sampling equilibrium states of many-body systems with deep learning
585
SHARES
3.3k
VIEWS
Share on FacebookShare on Twitter

Summary

Atomistic simulations of complex molecular systems can provide key microscopic insights not easily accessible to experiments, such as folding of proteins (see the first figure), binding of small-molecule drug candidates or peptide therapeutics to selected targets, and formation of different polymorphs of molecular crystals, provided that two major hurdles are overcome. First, an accurate description of the interatomic interactions is needed, which is captured in a single potential energy function U(x), where x denotes the full set of atomic coordinates. Second, given U(x), predicting thermodynamic and other equilibrium properties of the system or estimating kinetics requires sampling a statistically sufficient number of realizations of x from the so-called Boltzmann probability distribution P(x), which is proportional to exp[−U(x)/kBT], where T is the system temperature and kB is Boltzmann’s constant. On page 1001 of this issue, Noé et al. (1) introduce a machine learning–based approach to address the latter of these two challenges.

You might also like

Opportunity, Trends, Share, Top Companies Analysis (Based on 2021 COVID-19 Worldwide Spread) – NeighborWebSJ

The case for Bayesian Learning in mining

Government trialling machine learning tech to detect pests at shipping ports

Credit: Google News

Previous Post

ProtonMail pushes back against claims it is partnering with Huawei

Next Post

Crypto Bull: Like Amazon Stock, Bitcoin Is a 'Screaming Buy'

Related Posts

Opportunity, Trends, Share, Top Companies Analysis (Based on 2021 COVID-19 Worldwide Spread) – NeighborWebSJ
Machine Learning

Opportunity, Trends, Share, Top Companies Analysis (Based on 2021 COVID-19 Worldwide Spread) – NeighborWebSJ

March 2, 2021
The case for Bayesian Learning in mining
Machine Learning

The case for Bayesian Learning in mining

March 2, 2021
Government trialling machine learning tech to detect pests at shipping ports
Machine Learning

Government trialling machine learning tech to detect pests at shipping ports

March 2, 2021
Ask the Expert: What’s New in Azure Machine Learning | Ask the Expert
Machine Learning

Ask the Expert: What’s New in Azure Machine Learning | Ask the Expert

March 2, 2021
Machine Learning Cuts Through the Noise of Quantum Computing
Machine Learning

Machine Learning Cuts Through the Noise of Quantum Computing

March 2, 2021
Next Post
Crypto Bull: Like Amazon Stock, Bitcoin Is a 'Screaming Buy'

Crypto Bull: Like Amazon Stock, Bitcoin Is a 'Screaming Buy'

Leave a Reply Cancel reply

Your email address will not be published. Required fields are marked *

Recommended

Plasticity in Deep Learning: Dynamic Adaptations for AI Self-Driving Cars

Plasticity in Deep Learning: Dynamic Adaptations for AI Self-Driving Cars

January 6, 2019
Microsoft, Google Use Artificial Intelligence to Fight Hackers

Microsoft, Google Use Artificial Intelligence to Fight Hackers

January 6, 2019

Categories

  • Artificial Intelligence
  • Big Data
  • Blockchain
  • Crypto News
  • Data Science
  • Digital Marketing
  • Internet Privacy
  • Internet Security
  • Learn to Code
  • Machine Learning
  • Marketing Technology
  • Neural Networks
  • Technology Companies

Don't miss it

Opportunity, Trends, Share, Top Companies Analysis (Based on 2021 COVID-19 Worldwide Spread) – NeighborWebSJ
Machine Learning

Opportunity, Trends, Share, Top Companies Analysis (Based on 2021 COVID-19 Worldwide Spread) – NeighborWebSJ

March 2, 2021
Australia’s new ‘hacking’ powers considered too wide-ranging and coercive by OAIC
Internet Security

Australia’s new ‘hacking’ powers considered too wide-ranging and coercive by OAIC

March 2, 2021
DSC Weekly Digest 01 March 2021
Data Science

DSC Weekly Digest 01 March 2021

March 2, 2021
The case for Bayesian Learning in mining
Machine Learning

The case for Bayesian Learning in mining

March 2, 2021
Scientists have built this ultrafast laser-powered random number generator
Internet Security

Scientists have built this ultrafast laser-powered random number generator

March 2, 2021
Companies in the Global Data Science Platforms Resorting to Product Innovation to Stay Ahead in the Game
Data Science

Companies in the Global Data Science Platforms Resorting to Product Innovation to Stay Ahead in the Game

March 2, 2021
NikolaNews

NikolaNews.com is an online News Portal which aims to share news about blockchain, AI, Big Data, and Data Privacy and more!

What’s New Here?

  • Opportunity, Trends, Share, Top Companies Analysis (Based on 2021 COVID-19 Worldwide Spread) – NeighborWebSJ March 2, 2021
  • Australia’s new ‘hacking’ powers considered too wide-ranging and coercive by OAIC March 2, 2021
  • DSC Weekly Digest 01 March 2021 March 2, 2021
  • The case for Bayesian Learning in mining March 2, 2021

Subscribe to get more!

© 2019 NikolaNews.com - Global Tech Updates

No Result
View All Result
  • AI Development
    • Artificial Intelligence
    • Machine Learning
    • Neural Networks
    • Learn to Code
  • Data
    • Blockchain
    • Big Data
    • Data Science
  • IT Security
    • Internet Privacy
    • Internet Security
  • Marketing
    • Digital Marketing
    • Marketing Technology
  • Technology Companies
  • Crypto News

© 2019 NikolaNews.com - Global Tech Updates